4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine

C11H22ClNO2 — CID 103412995

IUPAC4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
SMILESCOCCOCCCN1CCC(Cl)CC1
InChIInChI=1S/C11H22ClNO2/c1-14-9-10-15-8-2-5-13-6-3-11(12)4-7-13/h11H,2-10H2,1H3
InChIKeyPLTKAWIIMJVPQH-UHFFFAOYSA-N
MW235.75 g/mol
LogP1.74
Rot. Bonds7

About 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine

4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine (PubChem CID 103412995) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine.

Molecular Properties

Compound Name4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
PubChem CID103412995
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
SMILESCOCCOCCCN1CCC(Cl)CC1
InChIInChI=1S/C11H22ClNO2/c1-14-9-10-15-8-2-5-13-6-3-11(12)4-7-13/h11H,2-10H2,1H3
InChIKeyPLTKAWIIMJVPQH-UHFFFAOYSA-N
XLogP1.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]cyclopropanamine
CID 103410146
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 103410145
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
CID 103409181
3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567095
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine?
The IUPAC name of 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine (CID 103412995) is 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine.
What is the SMILES notation for 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine?
The canonical SMILES for 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine is COCCOCCCN1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine?
The InChIKey is PLTKAWIIMJVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-14-9-10-15-8-2-5-13-6-3-11(12)4-7-13/h11H,2-10H2,1H3.
What are the key properties of 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine?
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine has a molecular weight of 235.75 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine is sourced from PubChem (CID 103412995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).